5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine

C137H171F2N31O5S — CID 161378819

About 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine

5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine (PubChem CID 161378819) has the molecular formula C137H171F2N31O5S and a molecular weight of 2402.15 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine.

Molecular Properties

• Compound Name: 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine
• PubChem CID: 161378819
• Molecular Formula: C137H171F2N31O5S
• Molecular Weight: 2402.15 g/mol
• Exact Mass: 2400.38
• IUPAC Name: 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine
• SMILES: CC1=CCc2ncc(-c3cn(C45CC(N6CCOCC6)(C4)C5)c(C4CC4)n3)cc21.Cc1cc(-c2cn(C34CC(N5CCCCC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(CCF)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(S(C)(=O)=O)CC5)(C3)C4)c(C3CC3)n2)cnc1N.FCCn1ccc2ncc(-c3cn(C45CC(N6CCOCC6)(C4)C5)c(C4CC4)n3)cc21.c1cc2ncc(-c3cn(C45CC(N6CCOCC6)(C4)C5)c(C4CC4)n3)cc2[nH]1
• InChI: InChI=1S/C24H28FN5O.C24H28N4O.C23H31FN6.C22H30N6O2S.C22H25N5O.C22H29N5/c25-4-6-28-5-3-19-21(28)11-18(12-26-19)20-13-30(22(27-20)17-1-2-17)24-14-23(15-24,16-24)29-7-9-31-10-8-29;1-16-2-5-20-19(16)10-18(11-25-20)21-12-28(22(26-21)17-3-4-17)24-13-23(14-24,15-24)27-6-8-29-9-7-27;1-16-10-18(11-26-20(16)25)19-12-30(21(27-19)17-2-3-17)23-13-22(14-23,15-23)29-8-6-28(5-4-24)7-9-29;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)26-5-7-27(8-6-26)31(2,29)30;1-2-15(1)20-25-19(16-9-18-17(24-10-16)3-4-23-18)11-27(20)22-12-21(13-22,14-22)26-5-7-28-8-6-26;1-15-9-17(10-24-19(15)23)18-11-27(20(25-18)16-5-6-16)22-12-21(13-22,14-22)26-7-3-2-4-8-26/h3,5,11-13,17H,1-2,4,6-10,14-16H2;2,10-12,17H,3-9,13-15H2,1H3;10-12,17H,2-9,13-15H2,1H3,(H2,25,26);9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);3-4,9-11,15,23H,1-2,5-8,12-14H2;9-11,16H,2-8,12-14H2,1H3,(H2,23,24)
• InChIKey: VRLCYIAEMKDIFU-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 370.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2402.15
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine?

The IUPAC name of 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine (CID 161378819) is 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine.

What is the SMILES notation for 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine?

The canonical SMILES for 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine is CC1=CCc2ncc(-c3cn(C45CC(N6CCOCC6)(C4)C5)c(C4CC4)n3)cc21.Cc1cc(-c2cn(C34CC(N5CCCCC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(CCF)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(S(C)(=O)=O)CC5)(C3)C4)c(C3CC3)n2)cnc1N.FCCn1ccc2ncc(-c3cn(C45CC(N6CCOCC6)(C4)C5)c(C4CC4)n3)cc21.c1cc2ncc(-c3cn(C45CC(N6CCOCC6)(C4)C5)c(C4CC4)n3)cc2[nH]1.

What is the InChIKey of 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine?

The InChIKey is VRLCYIAEMKDIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O.C24H28N4O.C23H31FN6.C22H30N6O2S.C22H25N5O.C22H29N5/c25-4-6-28-5-3-19-21(28)11-18(12-26-19)20-13-30(22(27-20)17-1-2-17)24-14-23(15-24,16-24)29-7-9-31-10-8-29;1-16-2-5-20-19(16)10-18(11-25-20)21-12-28(22(26-21)17-3-4-17)24-13-23(14-24,15-24)27-6-8-29-9-7-27;1-16-10-18(11-26-20(16)25)19-12-30(21(27-19)17-2-3-17)23-13-22(14-23,15-23)29-8-6-28(5-4-24)7-9-29;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)26-5-7-27(8-6-26)31(2,29)30;1-2-15(1)20-25-19(16-9-18-17(24-10-16)3-4-23-18)11-27(20)22-12-21(13-22,14-22)26-5-7-28-8-6-26;1-15-9-17(10-24-19(15)23)18-11-27(20(25-18)16-5-6-16)22-12-21(13-22,14-22)26-7-3-2-4-8-26/h3,5,11-13,17H,1-2,4,6-10,14-16H2;2,10-12,17H,3-9,13-15H2,1H3;10-12,17H,2-9,13-15H2,1H3,(H2,25,26);9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);3-4,9-11,15,23H,1-2,5-8,12-14H2;9-11,16H,2-8,12-14H2,1H3,(H2,23,24).

What are the key properties of 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine?

5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine has a molecular weight of 2402.15 g/mol, XLogP of 19.41, 29 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;4-[3-[2-cyclopropyl-4-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-cyclopropyl-1-(3-piperidin-1-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;4-[3-[2-cyclopropyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine is sourced from PubChem (CID 161378819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).